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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-92357
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Th', 'Bi', 'N']
  • Chemical System: Bi-N-Th
  • Density: 9.899197079789893
  • Atomic Density: 0.0425166995084293
  • Unit Cell Volume: 117.60084996740416
  • Molar Volume: 14.164177439986984
  • Full Formula: Th2 Bi1 N2
  • Reduced Formula: Th2BiN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm